CID 59137184

C17H35BO4Si2 — CID 59137184

IUPAC—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13-,14?,15-/m1/s1
InChIKeyOVTONIFRZIVABQ-QKGHYUKFSA-N
MW370.45 g/mol
LogP3.86
Rot. Bonds5

About CID 59137184

CID 59137184 (PubChem CID 59137184) has the molecular formula C17H35BO4Si2 and a molecular weight of 370.45 g/mol.

Molecular Properties

Compound NameCID 59137184
PubChem CID59137184
Molecular FormulaC17H35BO4Si2
Molecular Weight370.45 g/mol
Exact Mass370.22
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13-,14?,15-/m1/s1
InChIKeyOVTONIFRZIVABQ-QKGHYUKFSA-N
XLogP3.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 59137184?
The IUPAC name of CID 59137184 (CID 59137184) is not available.
What is the SMILES notation for CID 59137184?
The canonical SMILES for CID 59137184 is [B][C@@H]1O[C@H](C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of CID 59137184?
The InChIKey is OVTONIFRZIVABQ-QKGHYUKFSA-N. The full InChI is InChI=1S/C17H35BO4Si2/c1-16(2,3)23(7,8)21-13-12(11-19)20-15(18)14(13)22-24(9,10)17(4,5)6/h11-15H,1-10H3/t12-,13-,14?,15-/m1/s1.
What are the key properties of CID 59137184?
CID 59137184 has a molecular weight of 370.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59137184 is sourced from PubChem (CID 59137184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).